CHEMICAL AND PHYSICAL PROPERTIES
Collision Cross Section | 196.8 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
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COMPUTED DESCRIPTORS
Molecular Weight | 393.5 g/mol |
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XLogP3 | 2.6 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 5 |
Exact Mass | 393.18525518 g/mol |
Monoisotopic Mass | 393.18525518 g/mol |
Topological Polar Surface Area | 53 Ų |
Heavy Atom Count | 29 |
Formal Charge | 0 |
Complexity | 782 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3-[2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]ethyl]-2-methyl-4-pyrido[1,2-a]pyrimidinone is an aromatic ketone.